Bang C. Huynh
cbh31 at cam.ac.uk
Tue Sep 8 20:38:52 CEST 2015
Can you please be more specific? Perhaps attaching the output file would
be helpful. It's not entirely clear what you meant by 'does not write
the final coordinates nor the new vectors of the crystal lattice.' Did
you mean the entire section between Begin final coordinates / End final
coordinates was missing in your output file?
BANG C. HUYNH
University of Cambridge
The United Kingdom
On 08-09-2015 19:45, Alvaro Santos Alves wrote:
> Hi all. I'm trying to use the vc-relax to optimize the cell. However, after reaching convergence, PW does not write the final coordinates nor the new vectors of the crystal lattice. Can someone please explain what's going on?
> Álvaro Santos Alves
> Universidade Estadual de Feira de Santana, Bahia, Brazil
> Departamento de Física
> Laboratório de Física de Materiais.
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum 
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